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548792-42-3

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Basic Information
CAS No.: 548792-42-3
Name: 4-Bromo-N,N-bis(4-butylphenyl)-aniline
Article Data: 5
Molecular Structure:
Molecular Structure of 548792-42-3 (4-Bromo-N,N-bis(4-butylphenyl)-aniline)
Formula: C26H30BrN
Molecular Weight: 436.4271
Synonyms: 4-Bromo-N,N-bis(4-butylphenyl)-aniline;N,N-Bis(4-n-butylphenyl)-4-bromophenylamine;N-(4-Bromophenyl)-4-butyl-N-(4-butylphenyl)benzenamine;Benzenamine, N-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-
Density: 1.185 g/cm3
Boiling Point: 526.604 °C at 760 mmHg
Flash Point: 272.28 °C
PSA: 3.24000
LogP: 8.60410
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Specification

The 4-Bromo-N,N-bis(4-butylphenyl)aniline has CAS registry number 548792-42-3. Its molecular formula is C26H30BrN and molecular weight is 436.4271. What's more, its systematic name is N-(4-Bromophenyl)-4-butyl-N-(4-butylphenyl)aniline.

Physical properties about the 4-Bromo-N,N-bis(4-butylphenyl)aniline are: (1)ACD/LogP: 11.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.171; (4)ACD/LogD (pH 7.4): 11.171; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 125.417 cm3; (15)Molar Volume: 368.44 cm3; (16)Surface Tension: 42.555 dyne/cm; (17)Density: 1.185 g/cm3; (18)Flash Point: 272.28 °C; (19)Enthalpy of Vaporization: 80.099 kJ/mol; (20)Boiling Point: 526.604 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCCc1ccc(cc1)N(c2ccc(cc2)CCCC)c3ccc(cc3)Br
(2) InChI: InChI=1/C26H30BrN/c1-3-5-7-21-9-15-24(16-10-21)28(26-19-13-23(27)14-20-26)25-17-11-22(12-18-25)8-6-4-2/h9-20H,3-8H2,1-2H3
(3) InChIKey: HNGYCECISKVGIZ-UHFFFAOYAN